# generated using pymatgen
data_Ti12ZnMo5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39829472
_cell_length_b   6.24602919
_cell_length_c   13.17792195
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99856031
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12ZnMo5Ir6
_chemical_formula_sum   'Ti12 Zn1 Mo5 Ir6'
_cell_volume   362.02225378
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti0  1  0.50000000  0.25667168  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.74332932  0.00000000  1.0
  Ti  Ti2  1  0.00007765  0.25248551  0.16927792  1.0
  Ti  Ti3  1  0.00007765  0.74751449  0.16927792  1.0
  Ti  Ti4  1  0.50006749  0.25040182  0.33395247  1.0
  Ti  Ti5  1  0.50006749  0.74959618  0.33395247  1.0
  Ti  Ti6  1  0.00000000  0.25002585  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.74997315  0.50000000  1.0
  Ti  Ti8  1  0.49993251  0.25040182  0.66604653  1.0
  Ti  Ti9  1  0.49993251  0.74959618  0.66604653  1.0
  Ti  Ti10  1  0.99992235  0.25248551  0.83072208  1.0
  Ti  Ti11  1  0.99992235  0.74751449  0.83072208  1.0
  Zn  Zn12  1  0.00000000  0.00000000  0.00000000  1.0
  Mo  Mo13  1  0.50006312  0.49999900  0.16532894  1.0
  Mo  Mo14  1  0.00007223  0.00000000  0.33119900  1.0
  Mo  Mo15  1  0.50000000  0.49999900  0.50000000  1.0
  Mo  Mo16  1  0.99992777  0.00000000  0.66880100  1.0
  Mo  Mo17  1  0.49993688  0.49999900  0.83467206  1.0
  Ir  Ir18  1  0.00000000  0.49999900  0.00000000  1.0
  Ir  Ir19  1  0.50008815  0.00000000  0.16275784  1.0
  Ir  Ir20  1  0.00006189  0.49999900  0.33286818  1.0
  Ir  Ir21  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir22  1  0.99993811  0.49999900  0.66713182  1.0
  Ir  Ir23  1  0.49991185  0.00000000  0.83724116  1.0